Related papers: Fully Symmetrized VB Based Technique for Solving E…
We introduce an algebraic methodology for designing exactly-solvable Lie model Hamiltonians. The idea consists in looking at the algebra generated by bond operators. We illustrate how this method can be applied to solve numerous problems of…
We developed a general framework for hybrid quantum-classical computing of molecular and periodic embedding approaches based on an orbital space separation of the fragment and environment degrees of freedom. We demonstrate its potential by…
While either spin or point-group adaptation is straightforward when considered independently, the standard technique for factoring isotropic spin Hamiltonians by the total spin S and the irreducible representation of the point-group is…
Quantum computers have the potential to transform the ways in which we tackle some important problems. The efforts by companies like Google, IBM and Microsoft to construct quantum computers have been making headlines for years. Equally…
Diffusion Monte Carlo is one of the most accurate scalable many-body methods for solid state systems. However, to date, spin-orbit interactions have not been incorporated into these calcualtions at a first-principles level; only having been…
We study a matrix product state (MPS) algorithm to approximate excited states of translationally invariant quantum spin systems with periodic boundary conditions. By means of a momentum eigenstate ansatz generalizing the one of \"Ostlund…
We suggest using the method of quantum annealing for computing the ground state of the Heisenberg spin chains. Our initial Hamiltonian describes a spin system in a highly non-uniform magnetic field. The initial Hamiltonian gradually…
We present a flexible and effective ab-initio scheme to build many-body models for molecular nanomagnets, and to calculate magnetic exchange couplings and zero-field splittings. It is based on using localized Foster-Boys orbitals as…
The interaction between electronic and nuclear spins in the presence of external magnetic fields can be described by a spin Hamiltonian, with parameters obtained from first principles, electronic structure calculations. We describe an…
Condensed matter physics increasingly focuses on exploiting the magnetic order parameter orientation n as a tuning knob for properties of collinear magnetic materials, but a general method for constructing effective Hamiltonians with…
This work shows that any $k$-local Hamiltonian of qubits can be obtained from a 4-state 'Ising' model with $k$-local diagonal interactions and a single-site transverse field -- giving a new theoretical and experimental handle on quantum…
As a nuclear spin model of scalable quantum register, the one-dimensional chain of the magnetic atoms with nuclear spins 1/2 substituting the basic atoms in the plate of nuclear spin free easy-axis 3D antiferromagnet is considered. It is…
The characterization and manipulation of deposited magnetic clusters or molecules on surfaces is a prerequisite for their future utilization. In recent years techniques like spin-flip inelastic electron tunneling spectroscopy using a…
Variational algorithms for strongly correlated chemical and materials systems are one of the most promising applications of near-term quantum computers. We present an extension to the variational quantum eigensolver that approximates the…
A model subspace configuration interaction method is developed to obtain chemically accurate electron correlations by diagonalising a very compact effective Hamiltonian of realistic molecule. The construction of the effective Hamiltonian is…
We study the geometric particle-in-cell methods for an electrostatic hybrid plasma model. In this model, ions are described by the fully kinetic equations, electron density is determined by the Boltzmann relation, and space-charge effects…
This series of papers is devoted to an open-ended project aimed at the solution of Hilbert's sixth problem (concerning joint axiomatization of physics and probability theory) proposed to be constructed in the framework of an all-embracing…
We develop a strong coupling approach towards quantum magnetism in Mott insulators for Wannier obstructed bands. Despite the lack of Wannier orbitals, electrons can still singly occupy a set of exponentially-localized but nonorthogonal…
A multi-high-frequency electron paramagnetic resonance method is used to probe the magnetic excitations of a dimer of single-molecule magnets. The measured spectra display well resolved quantum transitions involving coherent superposition…
The interaction between vortex beam (VB) and molecule has drawn much attention in recent years, but the lack of theoretical method somehow limits its further analysis, especially when the molecular rotational degree of freedom is involved…